SCHEMBL3685175

SCHEMBL3685175

COC(=O)CCc1cc(NC(=O)C(F)(F)F)c(O)c(-c2ccc3c(cnn3C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.43
TRPA1 O75762 1/20 0.41
CACNA1H O95180 7/20 0.38
POLQ O75417 1/20 0.38
CCNC P24863 5/20 0.38
CDK8 P49336 5/20 0.38
USP7 Q93009 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3686219 0.85 AR (0.44) ARTRPA1CACNA1HPOLQCCNC
SCHEMBL3687090 0.82 CCNC (0.49) CCNCCDK8
SCHEMBL3680317 0.80 CCNC (0.45) ARTRPA1CACNA1HPOLQCCNC
SCHEMBL1016472 0.73 CCNC (0.45) ARTRPA1CACNA1HPOLQCCNC
SCHEMBL3689023 0.73 HRH3 (0.41) ARPOLQCCNCCDK8
SCHEMBL3882497 0.73 CACNA1H (0.43) ARCACNA1HPOLQCCNCCDK8
SCHEMBL1016592 0.73 AR (0.53) ARTRPA1CACNA1HPOLQCCNC
SCHEMBL3688007 0.72 AR (0.47) ARTRPA1CCNCCDK8
SCHEMBL3882157 0.72 CACNA1H (0.42) ARCACNA1HCCNCCDK8
SCHEMBL1012795 0.72 CCNC (0.44) ARTRPA1CACNA1HPOLQCCNC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 AR 179/4885TRPA1 186/4885CACNA1H 1427/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 AR 179/4885TRPA1 186/4885CACNA1H 1427/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 AR 179/4885TRPA1 186/4885CACNA1H 1427/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.